Monomers

2-Methoxyprop-2-enenitrile

Identifiers

IUPAC name
2-methoxyprop-2-enenitrile
InchI
InChI=1S/C4H5NO/c1-4(3-5)6-2/h1H2,2H3
InchI Key
PEIBTJDECFEPAF-UHFFFAOYSA-N
SMILES
COC(=C)C#N
Canonical SMILES
COC(=C)C#N
Isomeric SMILES
COC(=C)C#N
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C4H5NO
Heavy Atom Count
6
Molecular Weight
83.09
Exact Molecular Weight
83.0371
Valence Electrons
32
Radical Electrons
0
tPSA
33.02
MolLogP
0.6701
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 11 10  0  0  0  0  0  0  0  0999 V2000
    1.5172   -0.1822    1.0769 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1590   -0.5039    1.0431 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7531    0.0379    0.1429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1086   -0.7202   -0.8811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2832    1.3435    0.3078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7176    2.4138    0.4615 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9785   -0.7737    1.8997 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6778    0.8850    1.3545 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0586   -0.4688    0.1532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7146   -1.7234   -1.0263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8139   -0.3080   -1.5817 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  3  5  1  0
  5  6  3  0
  1  7  1  0
  1  8  1  0
  1  9  1  0
  4 10  1  0
  4 11  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers